SCHEMBL6552601

SCHEMBL6552601

COc1ccc(Sc2ccc(CCNC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
GAA P10253 1/20 0.63
RAB9A P51151 1/20 0.63
TAAR1 Q96RJ0 1/20 0.63
KMT2A Q03164 3/20 0.61
GLA P06280 1/20 0.61
PLAAT3 P53816 2/20 0.56
PLAAT5 Q96KN8 2/20 0.56
PLAAT2 Q9NWW9 2/20 0.56
PLAAT4 Q9UL19 2/20 0.56
MAPT P10636 2/20 0.55
FPR2 P25090 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PTPN1 P18031 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
ATM Q13315 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8737718 0.93 NPC1 (0.72) NPC1GAARAB9ATAAR1KMT2A
SCHEMBL3404533 0.83 ALDH1A1 (0.62) NPC1GAARAB9ATAAR1MAPT
SCHEMBL10924887 0.82 GLA (0.70) NPC1GAARAB9ATAAR1KMT2A
Benzyl Phenethylcarbamate SCHEMBL4287199 0.82 LMNA (0.73) NPC1GAARAB9ATAAR1KMT2A
SCHEMBL10924997 0.81 KMT2A (0.68) NPC1GAARAB9ATAAR1KMT2A
SCHEMBL20029318 0.80 PLAAT3 (0.68) NPC1GAARAB9ATAAR1KMT2A
SCHEMBL28982954 0.80 RAB9A (0.58) NPC1GAARAB9ATAAR1L3MBTL1
SCHEMBL11561410 0.79 NPC1 (0.65) NPC1RAB9AKMT2AMAPTL3MBTL1
SCHEMBL27783096 0.79 NPC1 (0.65) NPC1RAB9AKMT2AMAPTL3MBTL1
SCHEMBL6554125 0.79 LMNA (0.65) GAAPLAAT3PLAAT5PLAAT2PLAAT4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed